2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-N-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-N-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-N-(3-morpholinopropyl)benzimidazole-5-carboxamide CAS Name: 2-[(4-fluorophenyl)methylthio]-3-methyl-N-[3-(4-morpholinyl)propyl]-5-benzimidazolecarboxamide IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-N-(3-morpholin-4-ylpropyl)benzimidazole-5-carboxamide Traditional Name: 2-[(4-fluorobenzyl)thio]-3-methyl-N-(3-morpholinopropyl)benzimidazole-5-carboxamide Formula: C23H27FN4O2S MolecularWeight: 442.549483

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)NCCCN3CCOCC3)N=C1SCC4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)NCCCN3CCOCC3)N=C1SCC4=CC=C(C=C4)F

InChI

InChI=1S/C23H27FN4O2S/c1-27-21-15-18(22(29)25-9-2-10-28-11-13-30-14-12-28)5-8-20(21)26-23(27)31-16-17-3-6-19(24)7-4-17/h3-8,15H,2,9-14,16H2,1H3,(H,25,29)